N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

C22H26N4O2 — CID 53000002

IUPACN-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccc2oc(CN3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nc2c1
InChIInChI=1S/C22H26N4O2/c1-15-4-7-20-19(12-15)24-21(28-20)14-25-8-10-26(11-9-25)22(27)23-18-6-5-16(2)17(3)13-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,27)
InChIKeyDUWZYOPIWSCFMW-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.10
Rot. Bonds3

About N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 53000002) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID53000002
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccc2oc(CN3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nc2c1
InChIInChI=1S/C22H26N4O2/c1-15-4-7-20-19(12-15)24-21(28-20)14-25-8-10-26(11-9-25)22(27)23-18-6-5-16(2)17(3)13-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,27)
InChIKeyDUWZYOPIWSCFMW-UHFFFAOYSA-N
XLogP4.10
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000017
2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperazin-1-yl]methyl]-N,N-dimethyl-1,3-benzoxazole-5-carboxamide
CID 46383285
4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 52999881
N-(4-fluorophenyl)-4-[[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]methyl]piperazine-1-carboxamide
CID 20955791
4-(1,3-benzoxazol-2-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 52999883
N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53078519
N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53085289
N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 93072289
N-(3,4-dimethylphenyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463955
N-(3-chlorophenyl)-4-[[5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-yl]methyl]piperazine-1-carboxamide
CID 46383263
4-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107729
4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 53078522

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide (CID 53000002) is N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide is Cc1ccc2oc(CN3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nc2c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is DUWZYOPIWSCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-4-7-20-19(12-15)24-21(28-20)14-25-8-10-26(11-9-25)22(27)23-18-6-5-16(2)17(3)13-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,27).
What are the key properties of N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53000002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).